155 research outputs found

    Contrasting Behavior of Carbon Nucleation in the Initial Stages of Graphene Epitaxial Growth on Stepped Metal Surfaces

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    Using first-principles calculations within density functional theory, we study the energetics and kinetics of carbon nucleation in the early stages of epitaxial graphene growth on three representative stepped metal surfaces: Ir(111), Ru(0001), and Cu(111). We find that on the flat surfaces of Ir(111) and Ru(0001), two carbon atoms repel each other, while they prefer to form a dimer on Cu(111). Moreover, the step edges on Ir and Ru surfaces cannot serve as effective trapping centers for single carbon adatoms, but can readily facilitate the formation of carbon dimers. These contrasting behaviors are attributed to the delicate competition between C-C bonding and C-metal bonding, and a simple generic principle is proposed to predict the nucleation sites of C adatoms on many other metal substrates with the C-metal bond strengths as the minimal inputs.Comment: 4 figures, submitted versio

    Intrinsic spin Hall effect in monolayers of group-VI dichalcogenides: A first-principles study

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    Using first-principles calculations within density functional theory, we investigate the intrinsic spin Hall effect in monolayers of group-VI transition-metal dichalcogenides MX2 (M = Mo, W and X = S, Se). MX2 monolayers are direct band-gap semiconductors with two degenerate valleys located at the corners of the hexagonal Brillouin zone. Because of the inversion symmetry breaking and the strong spin-orbit coupling, charge carriers in opposite valleys carry opposite Berry curvature and spin moment, giving rise to both a valley- and a spin-Hall effect. The intrinsic spin Hall conductivity (ISHC) in p-doped samples is found to be much larger than the ISHC in n-doped samples due to the large spin-splitting at the valence band maximum. We also show that the ISHC in inversion-symmetric bulk dichalcogenides is an order of magnitude smaller compared to monolayers. Our result demonstrates monolayer dichalcogenides as an ideal platform for the integration of valleytronics and spintronics.Comment: published version (7 pages, 6 figures

    PointNet++ Grasping: Learning An End-to-end Spatial Grasp Generation Algorithm from Sparse Point Clouds

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    Grasping for novel objects is important for robot manipulation in unstructured environments. Most of current works require a grasp sampling process to obtain grasp candidates, combined with local feature extractor using deep learning. This pipeline is time-costly, expecially when grasp points are sparse such as at the edge of a bowl. In this paper, we propose an end-to-end approach to directly predict the poses, categories and scores (qualities) of all the grasps. It takes the whole sparse point clouds as the input and requires no sampling or search process. Moreover, to generate training data of multi-object scene, we propose a fast multi-object grasp detection algorithm based on Ferrari Canny metrics. A single-object dataset (79 objects from YCB object set, 23.7k grasps) and a multi-object dataset (20k point clouds with annotations and masks) are generated. A PointNet++ based network combined with multi-mask loss is introduced to deal with different training points. The whole weight size of our network is only about 11.6M, which takes about 102ms for a whole prediction process using a GeForce 840M GPU. Our experiment shows our work get 71.43% success rate and 91.60% completion rate, which performs better than current state-of-art works.Comment: Accepted at the International Conference on Robotics and Automation (ICRA) 202

    Strain tuning of topological band order in cubic semiconductors

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    We theoretically explore the possibility of tuning the topological order of cubic diamond/zinc-blende semiconductors with external strain. Based on the tight-binding model, we analyze the evolution of the cubic semiconductor band structure under hydrostatic or biaxial lattice expansion, by which a generic guiding principle is established that lattice \emph{expansion} can induce a topological phase transition of small band-gap cubic semiconductors via a band inversion, and further breaking of the cubic symmetry leads to a topological insulating phase. Using density functional theory calculations, we demonstrate that a prototype topological trivial semiconductor, InSb, is converted to a nontrivial topological semiconductor with a 2%-3% biaxial lattice expansion.Comment: 4 pages, 3 figure